SCHEMBL2881184

SCHEMBL2881184

CCc1ccc(Oc2cc(O)cc(C(=O)c3ccccc3)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
BCL2 P10415 3/20 0.48
MCL1 Q07820 3/20 0.48
SRD5A2 P31213 2/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2878591 0.90 HPGD (0.47) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL2876239 0.88 HPGD (0.45) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL2872131 0.86 LMNA (0.52) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL6425819 0.76 SRD5A2 (0.66) ALDH1A1HTTSRD5A2MAPTSMN1; SMN2
SCHEMBL2872542 0.76 HPGD (0.48) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL2868200 0.75 BCL2 (0.54) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL17010760 0.73 ALDH1A1 (0.44) ALDH1A1HPGDLMNACYP1A2PPARG
SCHEMBL4604200 0.72 MEN1 (0.62) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL5846836 0.72 MAPK1 (0.48) ALDH1A1HTTMAPK1HPGDLMNA
SCHEMBL28467354 0.71 STAT3 (0.46) LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713449-B2 Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell TORAY INDUSTRIES, INC. (JP) 2010-05-11 US disclosed
US-20060180796-A1 Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell TORAY INDUSTRIES, INC. (JP) 2006-08-17 US disclosed
EP-1619735-A1 POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2006-01-25 EP disclosed